3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride

C14H13ClN2O3S — CID 43102261

IUPAC3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(C)c1NC(=O)c1ccccn1
InChIInChI=1S/C14H13ClN2O3S/c1-9-7-11(21(15,19)20)8-10(2)13(9)17-14(18)12-5-3-4-6-16-12/h3-8H,1-2H3,(H,17,18)
InChIKeyMTDBUNPYULWYQB-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.88
Rot. Bonds3

About 3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride

3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride (PubChem CID 43102261) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride
PubChem CID43102261
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(C)c1NC(=O)c1ccccn1
InChIInChI=1S/C14H13ClN2O3S/c1-9-7-11(21(15,19)20)8-10(2)13(9)17-14(18)12-5-3-4-6-16-12/h3-8H,1-2H3,(H,17,18)
InChIKeyMTDBUNPYULWYQB-UHFFFAOYSA-N
XLogP2.88
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-6-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 66254800
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
N-(2,6-difluoro-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 43134122
N-(6-acetyl-2,3-dimethylphenyl)pyridine-2-carboxamide
CID 156785468
N-methylsulfonylpyridine-2-carboxamide
CID 14952705
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
CID 55037245
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43093324
N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide
CID 45111504

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride (CID 43102261) is 3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)cc(C)c1NC(=O)c1ccccn1.
What is the InChIKey of 3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride?
The InChIKey is MTDBUNPYULWYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-9-7-11(21(15,19)20)8-10(2)13(9)17-14(18)12-5-3-4-6-16-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride?
3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride has a molecular weight of 324.79 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 43102261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).